SCHEMBL595040

SCHEMBL595040

COC(=O)c1nc(Br)ccc1OCCOc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HDAC1 Q13547 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
FAAH O00519 4/20 0.39
XBP1 P17861 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
S1PR4 O95977 1/20 0.39
NAMPT P43490 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2483197 0.91 L3MBTL1 (0.45) L3MBTL1CA12CA1CA2CA9
SCHEMBL595157 0.86 CA12 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL13283745 0.80 S1PR4 (0.39) L3MBTL1CA12CA1CA2CA9
SCHEMBL594855 0.78 EGFR (0.42) MAPTHDAC1ALDH1A1FAAHS1PR4
SCHEMBL594987 0.78 MAPT (0.54) L3MBTL1MAPTRECQLALDH1A1TDP1
SCHEMBL23462113 0.78 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL594717 0.75 MAPT (0.49) L3MBTL1MAPTHDAC1RECQLALDH1A1
SCHEMBL30670755 0.75 L3MBTL1 (0.51) L3MBTL1CA12CA1CA2CA9
SCHEMBL10227460 0.74 S1PR4 (0.47) L3MBTL1CA9NPSR1ALDH1A1TDP1
SCHEMBL10227120 0.74 FAAH (0.64) L3MBTL1CA12CA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
EP-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX L3MBTL1 1483/4885CA12 2017/4885CA1 2798/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX L3MBTL1 1483/4885CA12 2017/4885CA1 2798/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX L3MBTL1 1483/4885CA12 2017/4885CA1 2798/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.